tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate

C18H30N2O4 — CID 138013999

IUPACtert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate
SMILESC=CCN(C(=O)C(O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C18H30N2O4/c1-5-10-20(14-6-7-14)16(22)15(21)13-8-11-19(12-9-13)17(23)24-18(2,3)4/h5,13-15,21H,1,6-12H2,2-4H3
InChIKeyAKSORYXMIAJNOY-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 138013999) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate
PubChem CID138013999
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Nametert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate
SMILESC=CCN(C(=O)C(O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C18H30N2O4/c1-5-10-20(14-6-7-14)16(22)15(21)13-8-11-19(12-9-13)17(23)24-18(2,3)4/h5,13-15,21H,1,6-12H2,2-4H3
InChIKeyAKSORYXMIAJNOY-UHFFFAOYSA-N
XLogP2.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(1S)-1-[tert-butylsulfinyl(prop-2-enyl)amino]ethyl]piperidine-1-carboxylate
CID 166745842
tert-butyl (3S)-3-(1-hydroxybut-3-enyl)pyrrolidine-1-carboxylate
CID 59536652
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
CID 77143621
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
CID 142324969
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146486000
tert-butyl 3-(1-aminopent-4-enyl)pyrrolidine-1-carboxylate
CID 107092458

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate (CID 138013999) is tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate is C=CCN(C(=O)C(O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1.
What is the InChIKey of tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is AKSORYXMIAJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-5-10-20(14-6-7-14)16(22)15(21)13-8-11-19(12-9-13)17(23)24-18(2,3)4/h5,13-15,21H,1,6-12H2,2-4H3.
What are the key properties of tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[cyclopropyl(prop-2-enyl)amino]-1-hydroxy-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 138013999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).